2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide

C28H32N2O3 — CID 133146415

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C28H32N2O3/c1-28(2,3)29-27(32)25(19-22-13-7-4-8-14-22)30(20-23-15-9-5-10-16-23)26(31)21-33-24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3,(H,29,32)
InChIKeyYLDGMHWGQJQENE-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.62
Rot. Bonds9

About 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide

2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide (PubChem CID 133146415) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide
PubChem CID133146415
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide
SMILESCC(C)(C)NC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C28H32N2O3/c1-28(2,3)29-27(32)25(19-22-13-7-4-8-14-22)30(20-23-15-9-5-10-16-23)26(31)21-33-24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3,(H,29,32)
InChIKeyYLDGMHWGQJQENE-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147414
N-tert-butyl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133262811
N-tert-butyl-2-[(4-methylphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133147666
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-methyl-3-phenylpropanamide
CID 100655342
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-tert-butyl-3-phenylpropanamide
CID 133146729
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133147746
2-[benzyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 133214190
N-tert-butyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133198104
N-tert-butyl-2-[(3-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-3-phenylpropanamide
CID 133148368
N-tert-butyl-2-[(2-methylphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133146997
N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133262812
N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133192747

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide (CID 133146415) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide is CC(C)(C)NC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide?
The InChIKey is YLDGMHWGQJQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-28(2,3)29-27(32)25(19-22-13-7-4-8-14-22)30(20-23-15-9-5-10-16-23)26(31)21-33-24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3,(H,29,32).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide has a molecular weight of 444.58 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-tert-butyl-3-phenylpropanamide is sourced from PubChem (CID 133146415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).